1VCG
Crystal Structure of IPP isomerase at P43212
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-04 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9803 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 112.953, 112.953, 261.283 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 3.020 |
R-factor | 0.24 |
Rwork | 0.240 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.120 |
High resolution limit [Å] | 3.010 | 3.010 |
Number of reflections | 32106 | |
<I/σ(I)> | 24.1 | 3.1 |
Completeness [%] | 93.4 | 65.9 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | sodium acetate, sodium chloride, MPD, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |